| CAS Number | 41472-79-1 |
| Catalog Number | AG01AGX5 |
| Chemical Name | 1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 1-prop-2-ynylbenzimidazole;hydrochloride |
| InChI | InChI=1S/C10H8N2.ClH/c1-2-7-12-8-11-9-5-3-4-6-10(9)12;/h1,3-6,8H,7H2;1H |
| InChI Key | RXVLCKHFDWTWTB-UHFFFAOYSA-N |
| MDL Number | MFCD18380703 |
| Molecular Formula | C10H9ClN2 |
| Molecular Weight | 192.6449 |
| SMILES | Cl.C#CCN1C2=C(C=CC=C2)N=C1 |
| Synonyms | 1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole hydrochloride,
EN300-73082,
41472-79-1,
AC1Q38P4,
NE39579,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.646g/mol |
| Monoisotopic Mass | 192.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number